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	hartrees
Energy at 0K	-230.984354
Energy at 298.15K	-230.991439
Nuclear repulsion energy	173.461097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	3148	9.85
2	A	3152	3119	4.88
3	A	3050	3018	37.01
4	A	2999	2968	39.61
5	A	2965	2934	49.64
6	A	2935	2904	51.72
7	A	1632	1615	54.14
8	A	1479	1463	1.29
9	A	1458	1443	0.49
10	A	1366	1352	2.30
11	A	1288	1275	1.91
12	A	1265	1252	6.70
13	A	1213	1200	11.99
14	A	1181	1169	9.98
15	A	1130	1119	57.68
16	A	1062	1051	33.28
17	A	1040	1029	12.26
18	A	987	976	4.64
19	A	922	912	17.62
20	A	910	900	33.96
21	A	857	848	6.50
22	A	826	817	3.37
23	A	817	809	6.80
24	A	677	670	36.96
25	A	661	654	4.98
26	A	444	440	23.84
27	A	124	122	1.07

Atom	x (Å)	y (Å)	z (Å)
H1	0.799	2.192	0.102
C2	0.439	1.166	0.058
H3	2.286	-0.046	0.020
C4	1.201	0.063	0.010
O5	0.524	-1.124	-0.086
H6	-1.423	1.029	-1.065
H7	-1.672	1.184	0.685
C8	-1.010	0.745	-0.079
H9	-1.459	-1.375	-0.642
H10	-1.172	-1.107	1.108
C11	-0.888	-0.787	0.090

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0882	2.6875	2.1678	3.3326	2.7665	2.7316	2.3238	4.2858	3.9719	3.4235
C2	1.0882		2.2090	1.3409	2.2961	2.1793	2.2023	1.5154	3.2473	2.9767	2.3614
H3	2.6875	2.2090		1.0905	2.0686	4.0113	4.1978	3.3910	4.0284	3.7772	3.2605
C4	2.1678	1.3409	1.0905		1.3704	2.9959	3.1570	2.3154	3.0931	2.8645	2.2572
O5	3.3326	2.2961	2.0686	1.3704		3.0639	3.2783	2.4181	2.0746	2.0741	1.4628
H6	2.7665	2.1793	4.0113	2.9959	3.0639		1.7744	1.1065	2.4405	3.0568	2.2178
H7	2.7316	2.2023	4.1978	3.1570	3.2783	1.7744		1.1021	2.8900	2.3827	2.2032
C8	2.3238	1.5154	3.3910	2.3154	2.4181	1.1065	1.1021		2.2380	2.2048	1.5459
H9	4.2858	3.2473	4.0284	3.0931	2.0746	2.4405	2.8900	2.2380		1.7927	1.0983
H10	3.9719	2.9767	3.7772	2.8645	2.0741	3.0568	2.3827	2.2048	1.7927		1.1035
C11	3.4235	2.3614	3.2605	2.2572	1.4628	2.2178	2.2032	1.5459	1.0983	1.1035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.052	H1	C2	C8	125.590
C2	C4	H3	130.332	C2	C4	O5	115.742
C2	C8	H6	111.496	C2	C8	H7	113.638
C2	C8	C11	100.953	H3	C4	O5	113.919
C4	C2	C8	108.167	C4	O5	C11	105.587
O5	C11	C8	106.940	O5	C11	H9	107.342
O5	C11	H10	107.017	H6	C8	H7	106.911
H6	C8	C11	112.420	H7	C8	C11	111.519
C8	C11	H9	114.587	C8	C11	H10	111.565
H9	C11	H10	109.016

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: PBEPBE/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.191
2	C	-0.298
3	H	0.207
4	C	0.006
5	O	-0.273
6	H	0.221
7	H	0.223
8	C	-0.463
9	H	0.219
10	H	0.215
11	C	-0.246

	x	y	z	Total
	-0.830	0.719	0.104	1.104
CHELPG
AIM
ESP

	x	y	z
x	7.590	-0.161	0.055
y	-0.161	7.508	-0.022
z	0.055	-0.022	4.874

<r²>	94.863
(<r²>)^1/2	9.740

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)